U Deva Priyakumar

34PUBLICATIONS
53CO-AUTHORS
Metal cluster chemistryBiologically active moleculesTheoretical quantum chemistryTe tukatuka reo noa o te Māori (Māori natural language processing)Computational chemistry
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Publications (34)

|Jun 19, 2026
Theoretical investigation of catalytic oxidation of benzyl alcohol by Au, Cu and Au-Cu nanoclusters.

|Feb 03, 2026
Mechanistic principles of antimicrobial peptides uncovered by charge density-based machine learning.

Hrushikesh Malshikare, U Deva Priyakumar, Prathit Chatterjee

|Sep 16, 2025
Leveraging high-spin DFT features for prediction of spin state gaps in 3d transition metal complexes.

Anuj Kumar Ray, Sandeep Nagar, Girish Varma

|Jun 16, 2025
Theoretical Investigation of the Stabilities and Reactivities of Au m Cu n ${\rm Au}_m{\rm Cu}_n$ Metallic Clusters (m+n = 13).

Pradeep Kumar Pal, U Deva Priyakumar

|May 03, 2024
Deep reinforcement learning in chemistry: A review.

Bhuvanesh Sridharan, Animesh Sinha, Jai Bardhan

|Mar 25, 2024
Molecular Property Diagnostic Suite for COVID-19 (MPDSCOVID-19): an open-source disease-specific drug discovery portal.

Lipsa Priyadarsinee, Esther Jamir, Selvaraman Nagamani

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Frequent Collaborators

3 joint publications

Rohit Modee

2 joint publications

Shubham Sharma

2 joint publications

Rakesh Srivastava

2 joint publications

Vadapalli Chandrasekhar